Fluorine in PDB 5dac: Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna

The structure of Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna, PDB code: 5dac was solved by F.U.Seifert, K.Lammens, G.Stoehr, B.Kessler, K.-P.Hopfner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.48 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.312, 97.078, 115.012, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.6

The structure of Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna (pdb code 5dac). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna, PDB code: 5dac:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:F1403 b:92.2 occ:1.00 F A:AES1403 0.0 92.2 1.0 S A:AES1403 1.6 92.1 1.0 O1S A:AES1403 2.5 92.5 1.0 O2S A:AES1403 2.5 91.8 1.0 C1 A:AES1403 2.8 92.0 1.0 H6 A:AES1403 3.1 23.8 1.0 C6 A:AES1403 3.4 91.7 1.0 OE1 A:GLU1154 3.7 77.8 1.0 C2 A:AES1403 4.0 92.2 1.0 H2 A:AES1403 4.2 23.8 1.0 CG2 A:THR1151 4.5 35.8 1.0 C5 A:AES1403 4.7 91.7 1.0 CD A:GLU1154 4.7 72.3 1.0 CB A:GLU1154 4.8 54.8 1.0

Fluorine binding site 2 out of 2 in the Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Atp-Gamma-S Bound RAD50 From Chaetomium Thermophilum in Complex with Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:F1403 b:0.1 occ:1.00 F B:AES1403 0.0 0.1 1.0 S B:AES1403 1.6 0.0 1.0 O B:HOH1552 2.4 55.5 1.0 O2S B:AES1403 2.5 0.5 1.0 O1S B:AES1403 2.5 0.2 1.0 C1 B:AES1403 2.8 99.4 1.0 H6 B:AES1403 3.7 23.8 1.0 C6 B:AES1403 3.7 99.3 1.0 C2 B:AES1403 3.7 99.0 1.0 H2 B:AES1403 3.7 23.8 1.0 CG1 B:ILE1258 4.2 47.5 1.0 CA B:ILE1258 4.9 51.0 1.0 OE1 B:GLU1154 5.0 69.6 1.0 C5 B:AES1403 5.0 98.8 1.0 C3 B:AES1403 5.0 98.6 1.0

F.U.Seifert, K.Lammens, G.Stoehr, B.Kessler, K.P.Hopfner. Structural Mechanism of Atp-Dependent Dna Binding and Dna End Bridging By Eukaryotic RAD50. Embo J. V. 35 759 2016.
ISSN: ESSN 1460-2075
PubMed: 26896444
DOI: 10.15252/EMBJ.201592934